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RG18 results

Density functional: τHCTHhyb

Reference values and deviations (result - reference) of the respective functional
w/o dispersion correction, D3(0) dispersion correction, and D3(BJ) dispersion correction in kcal/mol.

# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 ne2 ne -1 2 0.08 -0.06 0.02 -0.00
2 ar2 ar -1 2 0.27 -0.31 0.03 0.07
3 kr2 kr -1 2 0.40 -0.46 0.13 0.21
4 ne3 ne -1 3 0.27 -0.20 0.03 -0.03
5 ar3 ar -1 3 0.77 -0.73 0.02 0.16
6 kr3 kr -1 3 1.18 -1.18 0.21 0.40
7 ne4 ne -1 4 0.54 -0.35 0.08 -0.03
8 ar4 ar -1 4 1.51 -1.52 -0.10 0.20
9 ne6 ne -1 6 1.13 -0.78 0.13 -0.10
10 hfNe ne hf -1 1 1 0.23 -0.06 0.24 0.04
11 hfAr ar hf -1 1 1 0.59 -0.21 0.29 0.11
12 hfKr kr hf -1 1 1 0.72 -0.20 0.39 0.27
13 c2h2Ne ne c2h2 -1 1 1 0.12 -0.08 0.07 0.07
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.32 0.03 0.09
15 c2h6Ne ne c2h6 -1 1 1 0.24 -0.20 0.08 0.03
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.53 0.05 0.06
17 bzNe ne bz -1 1 1 0.40 -0.33 0.05 0.07
18 bzAr ar bz -1 1 1 1.12 -1.18 -0.01 0.14
MD -0.48 0.10 0.10
MAD 0.48 0.11 0.11
RMSD 0.64 0.15 0.15